Basic information
- CAS
15017-02-4- Standard SMILES
Cc1ccccc1Nc1ccc(Nc2ccccc2C)cc1- InChIKey
MDZBMZIJIUEQJS-UHFFFAOYSA-N- Molecular formula
- C20H20N2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.16264865
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N1,N4-bis(2-methylphenyl)-
- IUPAC
- 1-N,4-N-bis(2-methylphenyl)benzene-1,4-diamine
- English name
- N,N'-bis(2-methylphenyl)benzene-1,4-diamine
- Molecular formula
- C20H20N2
- Molecular weight
- 288.3862
Names & synonyms
USAF GY-1BRN 2748709EINECS 239-102-71,4-Benzenediamine, N1,N4-bis(2-methylphenyl)-3-13-00-00120 (Beilstein Handbook Reference)RefChem:41590715017-02-4N,N'-Bis(2-methylphenyl)benzene-1,4-diamineN1,N4-Di-o-tolylbenzene-1,4-diamine1-N,4-N-bis(2-methylphenyl)benzene-1,4-diamine1,4-Benzenediamine, N,N'-bis(2-methylphenyl)-N,N'-Di-o-tolyl-p-phenylene diamine
Show more names
N,N'-Di(o-tolyl)-p-phenylenediamineN,N'-Di(o-tolyl)-1,4-benzenediamineN,N'-bis (tolyl)-p-phenylenediamineN,N'-(4,1-Phenylene)bis(o-toluidine)N,N'-Di(2-methylphenyl)-p-phenylenediamine
N,N'-BIS(METHYLPHENYL)-1,4-BENZENEDIAMINEN,N''-Bis(methylphenyl)-1,4-benzenediamine (Technical Grade)p-Phenylenediamine, N,N'-di-(o-tolyl)-T99Y2A9GW6N,N/'-bis(2-methylphenyl)benzene-1,4-diamineUNII-T99Y2A9GW6SCHEMBL108882DTXSID1065843
Database identifiers
- CAS
15017-02-4
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 420.62 °C · 420.62°C (rough estimate)
- Density
- 1.0223 · 1.0223 (rough estimate)
- refractive index
- 1.645 · 1.6450 (estimate)
- solubility
- 1 · DMSO: Sparingly soluble: 1-10 mg/ml
- pka
- 2.09 · 2.09±0.50(Predicted)
- InChI
- InChI=1S/C20H20N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14,21-22H,1-2H3
- InChIKey
- MDZBMZIJIUEQJS-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2C)=CC=C(NC2=CC=CC=C2C)C=C1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 99 Y2A9GW6 · T99Y2A9GW6
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N,N'-bis(2-methylphenyl)- (15017-02-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, N1,N4-bis(2-methylphenyl)-: ACTIVE
Applications
UsesN,N'-Di-o-tolyl-p-phenylenediamine is a diphenylamine antioxidant that could be found in wastewater. N,N'-Di-o-tolyl-p-phenylenediamine accumulates in aquatic organisms, exhibits bioaccumulating potential, may have long-term effects on aquatic ecosystems[1].
Suppliers32 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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